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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Glyceryl 1,3-dipalmitate acts as a metabolite of saccharomyces cerevisiae, plant and human.
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O |
|---|---|
| IUPAC Name | (3-hexadecanoyloxy-2-hydroxypropyl) hexadecanoate |
| InChIKey | GFAZGHREJPXDMH-UHFFFAOYSA-N |
| INCHI | 1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-31-33(36)32-40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)O |
| WGK Germany | 1 |
| PubChem CID | 68149 |
| Molecular Weight | 568.91 |
| Beilstein | 1809772 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Glycerolipids |
| Subclass | Diradylglycerols |
| Intermediate Tree Nodes | Diacylglycerols |
| Direct Parent | 1,3-diacylglycerols |
| Alternative Parents | Fatty acid esters Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | 1,3-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - Dicarboxylic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,3-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 3. |
| External Descriptors | 1,3-diglyceride - palmitic acid |
| Molecular Weight | 568.900 g/mol |
|---|---|
| XLogP3 | 14.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 34 |
| Exact Mass | 568.507 Da |
| Monoisotopic Mass | 568.507 Da |
| Topological Polar Surface Area | 72.800 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 490.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
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